(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene

C19H22BrN3 — CID 102246990

IUPAC(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene
SMILESCC(C)CN1CCCc2cc(/N=N/c3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H22BrN3/c1-14(2)13-23-11-3-4-15-12-18(9-10-19(15)23)22-21-17-7-5-16(20)6-8-17/h5-10,12,14H,3-4,11,13H2,1-2H3/b22-21+
InChIKeyCZWCVNKFTJZHPQ-QURGRASLSA-N
MW372.31 g/mol
LogP6.27
Rot. Bonds4

About (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene

(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene (PubChem CID 102246990) has the molecular formula C19H22BrN3 and a molecular weight of 372.31 g/mol. Its IUPAC name is (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene.

Molecular Properties

Compound Name(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene
PubChem CID102246990
Molecular FormulaC19H22BrN3
Molecular Weight372.31 g/mol
Exact Mass371.10
IUPAC Name(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene
SMILESCC(C)CN1CCCc2cc(/N=N/c3ccc(Br)cc3)ccc21
InChIInChI=1S/C19H22BrN3/c1-14(2)13-23-11-3-4-15-12-18(9-10-19(15)23)22-21-17-7-5-16(20)6-8-17/h5-10,12,14H,3-4,11,13H2,1-2H3/b22-21+
InChIKeyCZWCVNKFTJZHPQ-QURGRASLSA-N
XLogP6.27
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.31
LogP ≤ 56.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}

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Related Compounds

3-[6-[(4-bromophenyl)diazenyl]-3,4-dihydro-2H-quinolin-1-yl]propanenitrile
CID 2818385
(4-bromophenyl)-(1-methyl-2,3-dihydroindol-5-yl)diazene
CID 101076081
1-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]ethanamine
CID 102661914
ethane;1-(2-methylpropyl)-3,4-dihydro-2H-quinoline
CID 170597916
1-(2-methylpropyl)-3,4-dihydro-2H-quinoline-7-carboxylic acid
CID 82263645
2-[1-(2-methylpropyl)-2,3-dihydroindol-5-yl]ethanol
CID 115105893
6-bromo-1-(2-pyrrolidin-1-ylethyl)-3,4-dihydro-2H-quinoline
CID 59807044
2-methyl-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propanoic acid
CID 43538734
1-[2-(4-bromophenoxy)ethyl]-6-methyl-3,4-dihydro-2H-quinoline
CID 60643830
(4E)-4-[[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-5-one
CID 1480714
1-amino-3-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-2-ol
CID 24698210
2-[6-[(4-bromo-6-cyano-2-methyl-1,3-dioxoisoindol-5-yl)diazenyl]-3,4-dihydro-2H-quinolin-1-yl]ethyl acetate
CID 135224371

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene?
The IUPAC name of (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene (CID 102246990) is (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene.
What is the SMILES notation for (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene?
The canonical SMILES for (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene is CC(C)CN1CCCc2cc(/N=N/c3ccc(Br)cc3)ccc21.
What is the InChIKey of (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene?
The InChIKey is CZWCVNKFTJZHPQ-QURGRASLSA-N. The full InChI is InChI=1S/C19H22BrN3/c1-14(2)13-23-11-3-4-15-12-18(9-10-19(15)23)22-21-17-7-5-16(20)6-8-17/h5-10,12,14H,3-4,11,13H2,1-2H3/b22-21+.
What are the key properties of (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene?
(4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene has a molecular weight of 372.31 g/mol, XLogP of 6.27, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[1-(2-methylpropyl)-3,4-dihydro-2H-quinolin-6-yl]diazene is sourced from PubChem (CID 102246990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).